Geometry & MOs

Info

ID:

91997

PubChem CID:

49981418

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-224.48

Dipole, Da:

8.83

IP(EA), eV:

 -8.81(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations